Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C11H12ClFN2.C4H4O4 |
| Molecular Weight | 342.75 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.C[C@H](N)CN1C=CC2=C1C=C(Cl)C(F)=C2
InChI
InChIKey=CEPHEXXZGQBXGT-XZTIXWOLSA-N
InChI=1S/C11H12ClFN2.C4H4O4/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15;5-3(6)1-2-4(7)8/h2-5,7H,6,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t7-;/m0./s1
| Molecular Formula | C11H12ClFN2 |
| Molecular Weight | 226.678 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 09:16:16 GMT 2025
by
admin
on
Wed Apr 02 09:16:16 GMT 2025
|
| Record UNII |
YQP8J4N96A
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| Record Status |
Validated (UNII)
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| Record Version |
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169675-09-6
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Ro60-0175
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DTXSID801028190
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YQP8J4N96A
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6446435
Created by
admin on Wed Apr 02 09:16:16 GMT 2025 , Edited by admin on Wed Apr 02 09:16:16 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> AGONIST |
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PARENT -> SALT/SOLVATE |
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